2-(1H-indazol-5-yl)acetic acid

C9H8N2O2 — CID 39103838

IUPAC2-(1H-indazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C9H8N2O2/c12-9(13)4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4H2,(H,10,11)(H,12,13)
InChIKeyIPLQMIIYVXKZFU-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.19
Rot. Bonds2

About 2-(1H-indazol-5-yl)acetic acid

2-(1H-indazol-5-yl)acetic acid (PubChem CID 39103838) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)acetic acid
PubChem CID39103838
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name2-(1H-indazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C9H8N2O2/c12-9(13)4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4H2,(H,10,11)(H,12,13)
InChIKeyIPLQMIIYVXKZFU-UHFFFAOYSA-N
XLogP1.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)acetic acid?
The IUPAC name of 2-(1H-indazol-5-yl)acetic acid (CID 39103838) is 2-(1H-indazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1H-indazol-5-yl)acetic acid?
The canonical SMILES for 2-(1H-indazol-5-yl)acetic acid is O=C(O)Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)acetic acid?
The InChIKey is IPLQMIIYVXKZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4H2,(H,10,11)(H,12,13).
What are the key properties of 2-(1H-indazol-5-yl)acetic acid?
2-(1H-indazol-5-yl)acetic acid has a molecular weight of 176.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)acetic acid is sourced from PubChem (CID 39103838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).